イソニコチン酸エチル

Ethyl isonicotinate

HCID 15291

基本情報

CAS
1570-45-2
標準SMILES
CCOC(=O)c1ccncc1
InChIKey
MCRPKBUFXAKDKI-UHFFFAOYSA-N
分子式
C8H9NO2
平均分子量
151.16 g/mol
単同位体質量
151.06332853

名称と識別子

優先名称
Ethyl isonicotinate
IUPAC
ethyl pyridine-4-carboxylate
現地名
イソニコチン酸エチル
英語名
Ethyl isonicotinate
分子式
C8H9NO2
分子量
151.16

名称と別名

ETHYL ISONICOTINATE1570-45-24-Pyridinecarboxylic acid, ethyl ester4-CarbethoxypyridineEthyl 4-pyridinecarboxylateIsonicotinic acid, ethyl ester4-CarboethoxypyridineONG7XTI4BLgamma-Pyridinecarboxylic acid ethyl esterNSC-6854DTXSID6061789RefChem:138965
名称をさらに表示
イソニコチン酸エチルピリジン-4-カルボン酸エチル4-ピリジンカルボン酸エチルエチル=イソニコチナートイソニコチン酸エチルエステル4-ピコリン酸エチルエステルエチル ピリジン-4-カルボキシラートethyl isonicitateEthyl isonicotiteRARECHEM AL BI 0097Isonicotinoyl EthylTuobisite Impurity 6
DTXCID4035043216-379-2ethyl pyridine-4-carboxylate4-Picolinic acid ethyl esterIsonicotinic acid ethyl ester4-pyridinecarboxylic acid ethyl esterMFCD00006428.gamma.-Pyridinecarboxylic acid ethyl ester

データベース識別子

CAS
1570-45-2
PubChem CID
15291
DTXSID
DTXSID6061789
ChEMBL
CHEMBL2251613
UNII
ONG7XTI4BL
EC Number
216-379-2
Nikkaji
J27.968D

物性

構造計算による物性

XLogP
1.4
極性表面積
39.2 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
11

実験および物理化学的性質

Kovats Retention Index · 3 件

1174.8

1201

1755

物理化学的性質

融点
23 °C · 23°C
沸点
92 °C/8 · 92 °C/8 mmHg (lit.)
比重(密度)
1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
蒸気圧
17.9 Pa · 17.9Pa at 25℃
屈折率
20 · n20/D 1.501(lit.)
闪点
190 °F · 190 °F

化学的性質

化学的特性clear colorless to light brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612

4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (91.5%);Eye Irrit. 2 (100%);STOT SE 3 (89.4%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 04-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16612

4-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
3
tsca
TSCA listed
rtecs
NS1450000
ridadr
NA 1993 / PGIII
hs_code
29333999
risk_code
36/37/38

化学と産業

用途と製造

General Manufacturing Information4-Pyridinecarboxylic acid, ethyl ester: INACTIVE

応用分野

用途有機合成原料、香料材料。

使用Ethyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

関連反応

57 件

化合物ノート

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